1-(2,3-dimethylphenyl)-4-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Formula: C21H26FN2O2+ MolecularWeight: 357.441743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C4C(=CC(=C3)F)COCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C4C(=CC(=C3)F)COCO4)C

InChI

InChI=1S/C21H25FN2O2/c1-15-4-3-5-20(16(15)2)24-8-6-23(7-9-24)12-17-10-19(22)11-18-13-25-14-26-21(17)18/h3-5,10-11H,6-9,12-14H2,1-2H3/p+1